1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene

C16H15ClO2 — CID 138660638

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H15ClO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+
InChIKeyPSOLORVTLOZTLM-RMKNXTFCSA-N
MW274.75 g/mol
LogP4.53
Rot. Bonds4

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene

1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene (PubChem CID 138660638) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
PubChem CID138660638
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H15ClO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+
InChIKeyPSOLORVTLOZTLM-RMKNXTFCSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
CID 134974449
1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364886
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7845689
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-[2-(2,3-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3089526
(E)-2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 912018
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene (CID 138660638) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene is COc1cccc(/C=C/c2ccc(Cl)cc2)c1OC.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene?
The InChIKey is PSOLORVTLOZTLM-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene?
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene has a molecular weight of 274.75 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene is sourced from PubChem (CID 138660638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).